[2-(5-nonylpyrimidin-4-yl)phenyl] undecanoate

Systemtic Name: [2-(5-nonylpyrimidin-4-yl)phenyl] undecanoate Openeye Name: [2-(5-nonylpyrimidin-4-yl)phenyl] undecanoate CAS Name: undecanoic acid [2-(5-nonyl-4-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-nonylpyrimidin-4-yl)phenyl] undecanoate Traditional Name: undecanoic acid [2-(5-nonylpyrimidin-4-yl)phenyl] ester Formula: C30H46N2O2 MolecularWeight: 466.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2CCCCCCCCC

InChI

InChI=1S/C30H46N2O2/c1-3-5-7-9-11-13-15-17-23-29(33)34-28-22-19-18-21-27(28)30-26(24-31-25-32-30)20-16-14-12-10-8-6-4-2/h18-19,21-22,24-25H,3-17,20,23H2,1-2H3